Molecule

ID:99750

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀F₃NO₂
Molecular Mass
233.1871096
Exact Mass
233.06636323
Charge
0
InChI
InChI=1S/C10H10F3NO2/c1-2-16-9(15)14-8-5-3-7(4-6-8)10(11,12)13/h3-6H,2H2,1H3,(H,14,15)
InChIKey
JEVZZFDJGJRPMU-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)Nc1ccc(cc1)C(F)(F)F
Isomeric Smiles
N(c1ccc(cc1)C(F)(F)F)C(=O)OCC
Calculated Properties
JChem
Acid pKa
13.026806
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.0649037
LogD (pH = 7.4)
3.0649028
Log P
3.0649037
Molar Refractivity
53.2669
Polarizability
19.003653
Polar Surface Area
38.33
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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